N-ethyl-1-[(2-fluorophenyl)methyl]-N-methyltriazolo[4,5-c]pyridin-4-amine

C15H16FN5 — CID 15213446

IUPACN-ethyl-1-[(2-fluorophenyl)methyl]-N-methyltriazolo[4,5-c]pyridin-4-amine
SMILESCCN(C)c1nccc2c1nnn2Cc1ccccc1F
InChIInChI=1S/C15H16FN5/c1-3-20(2)15-14-13(8-9-17-15)21(19-18-14)10-11-6-4-5-7-12(11)16/h4-9H,3,10H2,1-2H3
InChIKeyCIQURKNPVWKHGE-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.47
Rot. Bonds4

About N-ethyl-1-[(2-fluorophenyl)methyl]-N-methyltriazolo[4,5-c]pyridin-4-amine

N-ethyl-1-[(2-fluorophenyl)methyl]-N-methyltriazolo[4,5-c]pyridin-4-amine (PubChem CID 15213446) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is N-ethyl-1-[(2-fluorophenyl)methyl]-N-methyltriazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[(2-fluorophenyl)methyl]-N-methyltriazolo[4,5-c]pyridin-4-amine
PubChem CID15213446
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC NameN-ethyl-1-[(2-fluorophenyl)methyl]-N-methyltriazolo[4,5-c]pyridin-4-amine
SMILESCCN(C)c1nccc2c1nnn2Cc1ccccc1F
InChIInChI=1S/C15H16FN5/c1-3-20(2)15-14-13(8-9-17-15)21(19-18-14)10-11-6-4-5-7-12(11)16/h4-9H,3,10H2,1-2H3
InChIKeyCIQURKNPVWKHGE-UHFFFAOYSA-N
XLogP2.47
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-1-[(2-fluorophenyl)methyl]-N-methyltriazolo[4,5-c]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-1-[(2,5-difluorophenyl)methyl]triazolo[4,5-c]pyridine
CID 11778444
[1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazol-4-yl]methanol
CID 82203898
3-[(2-fluorophenyl)methyl]-7-imidazol-1-yl-5-propan-2-yltriazolo[4,5-d]pyrimidine
CID 5017475
1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazole-4-carbaldehyde
CID 82203900
3-[(2-fluorophenyl)methyl]-6-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 20869492
1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one
CID 23610254
3-[(2-fluorophenyl)methyl]-7-N-methyltriazolo[4,5-d]pyrimidine-5,7-diamine
CID 19767722
4-(aminomethyl)-N-ethyl-3-fluoro-N-methylpyridin-2-amine
CID 105388980
1-[(2-fluorophenyl)methyl]-5-propyltriazole-4-carboxylic acid
CID 56828774
7-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidine
CID 1447154
N,5-diethyl-N-methylisoquinolin-1-amine
CID 176668009
3-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 20869486

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(2-fluorophenyl)methyl]-N-methyltriazolo[4,5-c]pyridin-4-amine?
The IUPAC name of N-ethyl-1-[(2-fluorophenyl)methyl]-N-methyltriazolo[4,5-c]pyridin-4-amine (CID 15213446) is N-ethyl-1-[(2-fluorophenyl)methyl]-N-methyltriazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-ethyl-1-[(2-fluorophenyl)methyl]-N-methyltriazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-ethyl-1-[(2-fluorophenyl)methyl]-N-methyltriazolo[4,5-c]pyridin-4-amine is CCN(C)c1nccc2c1nnn2Cc1ccccc1F.
What is the InChIKey of N-ethyl-1-[(2-fluorophenyl)methyl]-N-methyltriazolo[4,5-c]pyridin-4-amine?
The InChIKey is CIQURKNPVWKHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-3-20(2)15-14-13(8-9-17-15)21(19-18-14)10-11-6-4-5-7-12(11)16/h4-9H,3,10H2,1-2H3.
What are the key properties of N-ethyl-1-[(2-fluorophenyl)methyl]-N-methyltriazolo[4,5-c]pyridin-4-amine?
N-ethyl-1-[(2-fluorophenyl)methyl]-N-methyltriazolo[4,5-c]pyridin-4-amine has a molecular weight of 285.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(2-fluorophenyl)methyl]-N-methyltriazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 15213446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).